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Merge pull request deepmodeling#156 from VINFeng/patch-8
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Update README.md
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KuangYu authored Jan 14, 2024
2 parents eac786d + f2efa4a commit eab3d26
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7 changes: 3 additions & 4 deletions README.md
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Expand Up @@ -34,10 +34,9 @@ DOI: 10.1021/acs.jctc.2c01297`

## Developer Guide
+ [1. Introduction](docs/dev_guide/introduction.md)
+ [2. Software architecture](docs/dev_guide/arch.md)
+ [3. Coding conventions](docs/dev_guide/convention.md)
+ [4. Document writing](docs/dev_guide/write_docs.md)
+ [5. An example for developing: how to write a generator?](docs/dev_guide/generator.ipynb)
+ [2. Coding conventions](docs/dev_guide/convention.md)
+ [3. Document writing](docs/dev_guide/write_docs.md)
+ [4. An example for developing: how to write a generator?](docs/dev_guide/generator.ipynb)

## Code Structure

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6 changes: 6 additions & 0 deletions docs/user_guide/2.installation.md
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Expand Up @@ -17,6 +17,12 @@ pip install "jax[cuda11_local]==0.4.14" -f https://storage.googleapis.com/jax-re
conda install -c conda-forge mdtraj==1.9.7
pip install optax==0.1.3 pymbar==4.0.1 jaxopt==0.8.1
```
+ Install [mdtraj](https://github.com/mdtraj/mdtraj), [optax](https://github.com/deepmind/optax) and [pymbar](https://github.com/choderalab/pymbar):
```bash
conda install -c conda-forge mdtraj==1.9.7
pip install optax==0.1.3
pip install pymbar==4.0.1
```
+ Install [OpenMM](https://openmm.org/):
```bash
conda install -c conda-forge openmm==7.7.0
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